## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
D |
581 |
143 |
31031 |
◊ |
B |
x,y,z |
1_555 |
578 |
141 |
31095 |
5302.1 |
-39.6 |
0.198 |
61 |
34 |
0 |
0.490 |
2 |
|
C |
567 |
139 |
30949 |
◊ |
A |
x,y,z |
1_555 |
574 |
141 |
30871 |
5274.2 |
-42.0 |
0.171 |
64 |
35 |
0 |
0.490 |
Average: |
5288.1 |
-40.8 |
0.184 |
63 |
35 |
0 |
0.490 |
2 |
3 |
|
C |
503 |
118 |
30949 |
◊ |
B |
x,y,z |
1_555 |
499 |
116 |
31095 |
4849.5 |
-48.6 |
0.041 |
68 |
15 |
0 |
0.526 |
4 |
|
D |
504 |
117 |
31031 |
◊ |
A |
x,y,z |
1_555 |
501 |
117 |
30871 |
4831.8 |
-48.8 |
0.043 |
68 |
14 |
0 |
0.526 |
Average: |
4840.7 |
-48.7 |
0.042 |
68 |
15 |
0 |
0.526 |
3 |
5 |
|
D |
206 |
56 |
31031 |
◊ |
C |
x,y,z |
1_555 |
204 |
58 |
30949 |
1871.9 |
-24.8 |
0.027 |
22 |
0 |
0 |
0.283 |
6 |
|
B |
203 |
58 |
31095 |
◊ |
A |
x,y,z |
1_555 |
200 |
58 |
30871 |
1855.6 |
-25.0 |
0.020 |
23 |
0 |
0 |
0.283 |
Average: |
1863.7 |
-24.9 |
0.024 |
23 |
0 |
0 |
0.283 |
4 |
7 |
|
[HDD]C:900 |
42 |
1 |
816 |
f |
C |
x,y,z |
1_555 |
90 |
28 |
30949 |
573.4 |
-18.1 |
0.469 |
4 |
0 |
0 |
0.309 |
8 |
|
[HDD]A:900 |
42 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
92 |
28 |
30871 |
571.3 |
-16.7 |
0.580 |
4 |
0 |
0 |
0.309 |
9 |
|
[HDD]D:900 |
42 |
1 |
811 |
f |
D |
x,y,z |
1_555 |
91 |
28 |
31031 |
569.3 |
-16.6 |
0.574 |
4 |
0 |
0 |
0.309 |
10 |
|
[HDD]B:900 |
42 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
93 |
28 |
31095 |
569.1 |
-18.2 |
0.450 |
4 |
0 |
0 |
0.309 |
Average: |
570.8 |
-17.4 |
0.518 |
4 |
0 |
0 |
0.309 |
5 |
11 |
|
D |
62 |
23 |
31031 |
◊ |
D |
-x+1,y,-z |
2_655 |
62 |
23 |
31031 |
510.3 |
5.0 |
0.968 |
2 |
2 |
0 |
0.000 |
6 |
12 |
|
C |
59 |
21 |
30949 |
◊ |
C |
-x,y,-z-1 |
2_554 |
61 |
21 |
30949 |
481.1 |
4.2 |
0.958 |
4 |
2 |
0 |
0.000 |
7 |
13 |
|
B |
37 |
14 |
31095 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
37 |
14 |
30949 |
302.2 |
1.2 |
0.781 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
A |
31 |
11 |
30871 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
28 |
11 |
31031 |
284.3 |
3.0 |
0.888 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
30 |
10 |
30871 |
◊ |
A |
-x,y,-z |
2_555 |
30 |
10 |
30871 |
276.4 |
3.2 |
0.936 |
14 |
4 |
0 |
0.000 |
16 |
|
B |
29 |
10 |
31095 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
29 |
10 |
31095 |
271.9 |
2.2 |
0.884 |
10 |
4 |
0 |
0.000 |
Average: |
274.1 |
2.7 |
0.910 |
12 |
4 |
0 |
0.000 |
10 |
17 |
|
C |
20 |
7 |
30949 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
22 |
8 |
31095 |
190.5 |
1.1 |
0.821 |
4 |
0 |
0 |
0.000 |
11 |
18 |
|
A |
9 |
4 |
30871 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
15 |
4 |
31031 |
115.0 |
-0.8 |
0.494 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[HDD]D:900 |
7 |
1 |
811 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
31095 |
82.4 |
-2.2 |
0.421 |
0 |
0 |
0 |
0.028 |
20 |
|
[HDD]C:900 |
7 |
1 |
816 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
30871 |
82.1 |
-2.2 |
0.436 |
0 |
0 |
0 |
0.028 |
21 |
|
[HDD]A:900 |
7 |
1 |
812 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
30949 |
81.7 |
-2.2 |
0.441 |
0 |
0 |
0 |
0.028 |
22 |
|
[HDD]B:900 |
6 |
1 |
813 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
31031 |
80.3 |
-2.2 |
0.432 |
0 |
0 |
0 |
0.028 |
Average: |
81.6 |
-2.2 |
0.432 |
0 |
0 |
0 |
0.028 |
13 |
23 |
|
[CA]B:1700 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
31095 |
63.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.203 |
24 |
|
[CA]C:1700 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
30949 |
63.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.203 |
25 |
|
[CA]D:1700 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
31031 |
62.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.203 |
Average: |
62.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.203 |
14 |
26 |
|
[CA]B:1699 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
31095 |
51.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.189 |
27 |
|
[CA]A:1699 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
30871 |
51.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.189 |
28 |
|
[CA]D:1699 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
31031 |
51.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.189 |
29 |
|
[CA]C:1699 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
30949 |
50.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.189 |
Average: |
51.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.189 |
15 |
30 |
|
C |
6 |
2 |
30949 |
◊ |
B |
-x,y,-z-1 |
2_554 |
4 |
1 |
31095 |
44.9 |
0.9 |
0.815 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
B |
7 |
3 |
31095 |
x |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
2 |
1 |
31095 |
35.4 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
[CA]B:1701 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
31095 |
30.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.050 |
18 |
33 |
|
B |
7 |
3 |
31095 |
◊ |
D |
-x+1/2,y-1/2,-z-1 |
4_544 |
3 |
1 |
31031 |
30.2 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
[CA]B:1701 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
30871 |
29.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.042 |
20 |
35 |
|
C |
2 |
2 |
30949 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
31031 |
27.2 |
0.4 |
0.775 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
A |
3 |
2 |
30871 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
30871 |
23.6 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
31031 |
14.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
38 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
31095 |
13.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.015 |
39 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
30871 |
13.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.015 |
40 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
30949 |
13.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
13.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.015 |
23 |
41 |
|
D |
2 |
1 |
31031 |
◊ |
A |
-x+1,y,-z |
2_655 |
3 |
1 |
30871 |
11.5 |
0.3 |
0.767 |
0 |
0 |
0 |
0.000 |
24 |
42 |
|
[CA]C:1699 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
31031 |
11.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
43 |
|
[CA]D:1699 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
30949 |
11.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
44 |
|
[CA]A:1699 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
31095 |
10.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.029 |
45 |
|
[CA]B:1699 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
30871 |
9.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
10.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
25 |
46 |
|
[CA]B:1701 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
30949 |
8.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
|